Vibrational Frequencies calculated at HF/6-31G*
Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
1 |
A1 |
901 |
849 |
94.90 |
|
|
|
2 |
A1 |
437 |
412 |
89.02 |
|
|
|
3 |
E |
1040 |
980 |
208.39 |
|
|
|
3 |
E |
1040 |
980 |
208.39 |
|
|
|
4 |
E |
307 |
290 |
15.91 |
|
|
|
4 |
E |
307 |
290 |
15.91 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 2016.7 cm
-1
Scaled (by 0.9422) Zero Point Vibrational Energy (zpe) 1900.2 cm
-1
See section
III.C.1 List or set vibrational scaling factors
to change the scale factors used here.
See section
III.C.2
Calculate a vibrational scaling factor for a given set of molecules
to determine the least squares best scaling factor.